2,6-dimethyl-N-(2-methylphenyl)morpholine-4-carbothioamide

C14H20N2OS — CID 2807315

IUPAC2,6-dimethyl-N-(2-methylphenyl)morpholine-4-carbothioamide
SMILESCc1ccccc1NC(=S)N1CC(C)OC(C)C1
InChIInChI=1S/C14H20N2OS/c1-10-6-4-5-7-13(10)15-14(18)16-8-11(2)17-12(3)9-16/h4-7,11-12H,8-9H2,1-3H3,(H,15,18)
InChIKeyMXJXCNQKNTXSRO-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.80
Rot. Bonds1

About 2,6-dimethyl-N-(2-methylphenyl)morpholine-4-carbothioamide

2,6-dimethyl-N-(2-methylphenyl)morpholine-4-carbothioamide (PubChem CID 2807315) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2,6-dimethyl-N-(2-methylphenyl)morpholine-4-carbothioamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(2-methylphenyl)morpholine-4-carbothioamide
PubChem CID2807315
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2,6-dimethyl-N-(2-methylphenyl)morpholine-4-carbothioamide
SMILESCc1ccccc1NC(=S)N1CC(C)OC(C)C1
InChIInChI=1S/C14H20N2OS/c1-10-6-4-5-7-13(10)15-14(18)16-8-11(2)17-12(3)9-16/h4-7,11-12H,8-9H2,1-3H3,(H,15,18)
InChIKeyMXJXCNQKNTXSRO-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide
CID 8624605
(3S)-3-hydroxy-N-(2-methylphenyl)piperidine-1-carbothioamide
CID 8628233
N-(2,4-difluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 2957705
(2R,6R)-N-(2-methoxy-5-methylphenyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 971545
(2S,6S)-N-(4-bromo-2-chlorophenyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 40722816
(2R,6R)-N-(4-chlorophenyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 892891
N,4-bis(2-methylphenyl)piperazine-1-carbothioamide
CID 779377
4-[hydroxy(diphenyl)methyl]-N-(2-methylphenyl)piperidine-1-carbothioamide
CID 17322028
2-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126232347
(3S)-1-[(2-methylphenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628888
N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide
CID 886437
N-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 8619696

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(2-methylphenyl)morpholine-4-carbothioamide?
The IUPAC name of 2,6-dimethyl-N-(2-methylphenyl)morpholine-4-carbothioamide (CID 2807315) is 2,6-dimethyl-N-(2-methylphenyl)morpholine-4-carbothioamide.
What is the SMILES notation for 2,6-dimethyl-N-(2-methylphenyl)morpholine-4-carbothioamide?
The canonical SMILES for 2,6-dimethyl-N-(2-methylphenyl)morpholine-4-carbothioamide is Cc1ccccc1NC(=S)N1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-N-(2-methylphenyl)morpholine-4-carbothioamide?
The InChIKey is MXJXCNQKNTXSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-6-4-5-7-13(10)15-14(18)16-8-11(2)17-12(3)9-16/h4-7,11-12H,8-9H2,1-3H3,(H,15,18).
What are the key properties of 2,6-dimethyl-N-(2-methylphenyl)morpholine-4-carbothioamide?
2,6-dimethyl-N-(2-methylphenyl)morpholine-4-carbothioamide has a molecular weight of 264.39 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(2-methylphenyl)morpholine-4-carbothioamide is sourced from PubChem (CID 2807315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).